CAS RN: 1303-32-8
ARSENIC (II) SULFIDE
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS1303-32-8
- Purity/Analytical Methods: >99.0%
1303-32-8 / ARSENIC (II) SULFIDE
Basic Information
CAS
1303-32-8
Multi CAS
No
Molecular Formula
As2S2
Molecular Weight
213.980000
Exact Mass
213.787330
SMILES
S=[As][As]=S
InChI
InChI=1S/As2S2/c3-1-2-4
InChIKey
KKPLQJMNSIUAFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
26.69
TPSA
64.2000
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1
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